# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Fe-Mn # implementation = 2025--Sharifi-H--Cu-Fe-Mn--LAMMPS--ipr1 # composition = CuFeMn2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 7.760658851e+02 7.760658851e+02 1.00 7.021205365e+02 7.021205365e+02 1.02 6.311866772e+02 6.311866772e+02 1.04 5.646494021e+02 5.646494021e+02 1.06 5.032458544e+02 5.032458544e+02 1.08 4.472689757e+02 4.472689757e+02 1.10 3.967149258e+02 3.967149258e+02 1.12 3.513887072e+02 3.513887072e+02 1.14 3.109791056e+02 3.109791056e+02 1.16 2.751111943e+02 2.751111943e+02 1.18 2.433824395e+02 2.433824395e+02 1.20 2.153869717e+02 2.153869717e+02 1.22 1.907313483e+02 1.907313483e+02 1.24 1.690442678e+02 1.690442678e+02 1.26 1.499820441e+02 1.499820441e+02 1.28 1.332311414e+02 1.332311414e+02 1.30 1.185087121e+02 1.185087121e+02 1.32 1.055617500e+02 1.055617500e+02 1.34 9.422759744e+01 9.422759744e+01 1.36 8.435831851e+01 8.435831851e+01 1.38 7.568455688e+01 7.568455688e+01 1.40 6.800413159e+01 6.800413159e+01 1.42 6.116500786e+01 6.116500786e+01 1.44 5.504983834e+01 5.504983834e+01 1.46 4.956546424e+01 4.956546424e+01 1.48 4.463584515e+01 4.463584515e+01 1.50 4.019733415e+01 4.019733415e+01 1.52 3.619553631e+01 3.619553631e+01 1.54 3.258321752e+01 3.258321752e+01 1.56 2.931889885e+01 2.931889885e+01 1.58 2.636587538e+01 2.636587538e+01 1.60 2.369153056e+01 2.369153056e+01 1.62 2.126682954e+01 2.126682954e+01 1.64 1.906591645e+01 1.906591645e+01 1.66 1.706578559e+01 1.706578559e+01 1.68 1.524599306e+01 1.524599306e+01 1.70 1.358839527e+01 1.358839527e+01 1.72 1.207690813e+01 1.207690813e+01 1.74 1.069728423e+01 1.069728423e+01 1.76 9.436909001e+00 9.436909001e+00 1.78 8.284642979e+00 8.284642979e+00 1.80 7.230624122e+00 7.230624122e+00 1.82 6.266086929e+00 6.266086929e+00 1.84 5.383244176e+00 5.383244176e+00 1.86 4.575162417e+00 4.575162417e+00 1.88 3.835638407e+00 3.835638407e+00 1.90 3.159104799e+00 3.159104799e+00 1.92 2.540539837e+00 2.540539837e+00 1.94 1.975377904e+00 1.975377904e+00 1.96 1.459429810e+00 1.459429810e+00 1.98 9.888281875e-01 9.888281875e-01 2.00 5.600021883e-01 5.600021883e-01 2.02 1.696561113e-01 1.696561113e-01 2.04 -1.852506546e-01 -1.852506546e-01 2.06 -5.075225326e-01 -5.075225326e-01 2.08 -7.997454732e-01 -7.997454732e-01 2.10 -1.064306852e+00 -1.064306852e+00 2.12 -1.303415222e+00 -1.303415222e+00 2.14 -1.519106137e+00 -1.519106137e+00 2.16 -1.713254851e+00 -1.713254851e+00 2.18 -1.887590364e+00 -1.887590364e+00 2.20 -2.043704690e+00 -2.043704690e+00 2.22 -2.183063192e+00 -2.183063192e+00 2.24 -2.307014753e+00 -2.307014753e+00 2.26 -2.416801133e+00 -2.416801133e+00 2.28 -2.513565597e+00 -2.513565597e+00 2.30 -2.598360865e+00 -2.598360865e+00 2.32 -2.672156405e+00 -2.672156405e+00 2.34 -2.735845155e+00 -2.735845155e+00 2.36 -2.790249703e+00 -2.790249703e+00 2.38 -2.836127949e+00 -2.836127949e+00 2.40 -2.874178355e+00 -2.874178355e+00 2.42 -2.905032443e+00 -2.905032443e+00 2.44 -2.929220930e+00 -2.929220930e+00 2.46 -2.947226148e+00 -2.947226148e+00 2.48 -2.959501515e+00 -2.959501515e+00 2.50 -2.966473160e+00 -2.966473160e+00 2.52 -2.968541460e+00 -2.968541460e+00 2.54 -2.966082440e+00 -2.966082440e+00 2.56 -2.959449088e+00 -2.959449088e+00 2.58 -2.948972526e+00 -2.948972526e+00 2.60 -2.934963073e+00 -2.934963073e+00 2.62 -2.917711185e+00 -2.917711185e+00 2.64 -2.897488265e+00 -2.897488265e+00 2.66 -2.874547358e+00 -2.874547358e+00 2.68 -2.849123748e+00 -2.849123748e+00 2.70 -2.821435460e+00 -2.821435460e+00 2.72 -2.791683720e+00 -2.791683720e+00 2.74 -2.760053403e+00 -2.760053403e+00 2.76 -2.726713513e+00 -2.726713513e+00 2.78 -2.691817748e+00 -2.691817748e+00 2.80 -2.655505170e+00 -2.655505170e+00 2.82 -2.617901009e+00 -2.617901009e+00 2.84 -2.579117580e+00 -2.579117580e+00 2.86 -2.539255294e+00 -2.539255294e+00 2.88 -2.498403703e+00 -2.498403703e+00 2.90 -2.456642531e+00 -2.456642531e+00 2.92 -2.414042638e+00 -2.414042638e+00 2.94 -2.370666888e+00 -2.370666888e+00 2.96 -2.326570907e+00 -2.326570907e+00 2.98 -2.281803758e+00 -2.281803758e+00 3.00 -2.236408569e+00 -2.236408569e+00 3.02 -2.190469973e+00 -2.190469973e+00 3.04 -2.144588254e+00 -2.144588254e+00 3.06 -2.098956831e+00 -2.098956831e+00 3.08 -2.051350043e+00 -2.051350043e+00 3.10 -2.003243459e+00 -2.003243459e+00 3.12 -1.954691829e+00 -1.954691829e+00 3.14 -1.905723101e+00 -1.905723101e+00 3.16 -1.856369542e+00 -1.856369542e+00 3.18 -1.806669979e+00 -1.806669979e+00 3.20 -1.756672086e+00 -1.756672086e+00 3.22 -1.706434593e+00 -1.706434593e+00 3.24 -1.656029234e+00 -1.656029234e+00 3.26 -1.605542247e+00 -1.605542247e+00 3.28 -1.555075216e+00 -1.555075216e+00 3.30 -1.504745070e+00 -1.504745070e+00 3.32 -1.454683075e+00 -1.454683075e+00 3.34 -1.405032726e+00 -1.405032726e+00 3.36 -1.355946542e+00 -1.355946542e+00 3.38 -1.307581856e+00 -1.307581856e+00 3.40 -1.260095842e+00 -1.260095842e+00 3.42 -1.213640079e+00 -1.213640079e+00 3.44 -1.168355061e+00 -1.168355061e+00 3.46 -1.124365072e+00 -1.124365072e+00 3.48 -1.081773825e+00 -1.081773825e+00 3.50 -1.040661209e+00 -1.040661209e+00 3.52 -1.001081363e+00 -1.001081363e+00 3.54 -9.630621715e-01 -9.630621715e-01 3.56 -9.266061391e-01 -9.266061391e-01 3.58 -8.916924880e-01 -8.916924880e-01 3.60 -8.582802252e-01 -8.582802252e-01 3.62 -8.263118731e-01 -8.263118731e-01 3.64 -7.957175435e-01 -7.957175435e-01 3.66 -7.664190498e-01 -7.664190498e-01 3.68 -7.383337960e-01 -7.383337960e-01 3.70 -7.113782389e-01 -7.113782389e-01 3.72 -6.854707877e-01 -6.854707877e-01 3.74 -6.605340675e-01 -6.605340675e-01 3.76 -6.364965345e-01 -6.364965345e-01 3.78 -6.132934749e-01 -6.132934749e-01 3.80 -5.908674590e-01 -5.908674590e-01 3.82 -5.691683403e-01 -5.691683403e-01 3.84 -5.481529043e-01 -5.481529043e-01 3.86 -5.277842690e-01 -5.277842690e-01 3.88 -5.080311351e-01 -5.080311351e-01 3.90 -4.888669681e-01 -4.888669681e-01 3.92 -4.702691801e-01 -4.702691801e-01 3.94 -4.522183606e-01 -4.522183606e-01 3.96 -4.346975898e-01 -4.346975898e-01 3.98 -4.176918499e-01 -4.176918499e-01 4.00 -4.011875427e-01 -4.011875427e-01 4.02 -3.851721065e-01 -3.851721065e-01 4.04 -3.696337243e-01 -3.696337243e-01 4.06 -3.545611093e-01 -3.545611093e-01 4.08 -3.399433526e-01 -3.399433526e-01 4.10 -3.257698199e-01 -3.257698199e-01 4.12 -3.120300852e-01 -3.120300852e-01 4.14 -2.987138891e-01 -2.987138891e-01 4.16 -2.858111163e-01 -2.858111163e-01 4.18 -2.733117839e-01 -2.733117839e-01 4.20 -2.612060374e-01 -2.612060374e-01 4.22 -2.494841509e-01 -2.494841509e-01 4.24 -2.381365298e-01 -2.381365298e-01 4.26 -2.269258784e-01 -2.269258784e-01 4.28 -2.112053603e-01 -2.112053603e-01 4.30 -1.766188206e-01 -1.766188206e-01 4.32 -1.058573399e-01 -1.058573399e-01 4.34 -7.094832845e-02 -7.094832845e-02 4.36 -6.445544140e-02 -6.445544140e-02 4.38 -5.821455091e-02 -5.821455091e-02 4.40 -5.221800925e-02 -5.221800925e-02 4.42 -4.645834324e-02 -4.645834324e-02 4.44 -4.092825334e-02 -4.092825334e-02 4.46 -3.562061241e-02 -3.562061241e-02 4.48 -3.052846429e-02 -3.052846429e-02 4.50 -2.564502225e-02 -2.564502225e-02 4.52 -2.096366714e-02 -2.096366714e-02 4.54 -1.647794557e-02 -1.647794557e-02 4.56 -1.218156781e-02 -1.218156781e-02 4.58 -8.068405603e-03 -8.068405603e-03 4.60 -4.132489934e-03 -4.132489934e-03 4.62 -3.680086324e-04 -3.680086324e-04 4.64 3.230696079e-03 3.230696079e-03 4.66 6.669130095e-03 6.669130095e-03 4.68 9.952650026e-03 9.952650026e-03 4.70 1.308646583e-02 1.308646583e-02 4.72 1.607564346e-02 1.607564346e-02 4.74 1.892510764e-02 1.892510764e-02 4.76 2.163964454e-02 2.163964454e-02 4.78 2.422390455e-02 2.422390455e-02 4.80 2.668240509e-02 2.668240509e-02 4.82 2.901953331e-02 2.901953331e-02 4.84 3.123954894e-02 3.123954894e-02 4.86 3.334658704e-02 3.334658704e-02 4.88 3.534466077e-02 3.534466077e-02 4.90 3.723766413e-02 3.723766413e-02 4.92 3.890404696e-02 3.890404696e-02 4.94 3.865742386e-02 3.865742386e-02 4.96 3.203349333e-02 3.203349333e-02 4.98 1.522904347e-02 1.522904347e-02 5.00 -6.840672309e-23 -7.190054867e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00